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Voigtmann, Thomas and Horbach, Jürgen (2008) The Dynamics of Silica Melts under High Pressure: Mode-Coupling Theory Results. Journal of Physics - Condensed Matter, 20, 244117/1-244117/7. DOI: 10.1088/0953-8984/20/24/244117
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Abstract
The high-pressure dynamics of a computer-modeled silica melt is studied in the framework of the mode-coupling theory of the glass transition (MCT) using static-structure input from molecular-dynamics (MD) computer simulation. The theory reproduces the experimentally known viscosity minimum (diffusivity maximum) as a function of density or pressure and explains it in terms of a corresponding minimum in its critical temperature. This minimum arises from a gradual change in the equilibrium static structure which shifts from being dominated by tetrahedral ordering to showing the cageing known from high-density liquids. The theory is in qualitative agreement with computer simulation results.
| Item URL in elib: | https://elib.dlr.de/54149/ | |||||||||
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| Document Type: | Article | |||||||||
| Title: | The Dynamics of Silica Melts under High Pressure: Mode-Coupling Theory Results | |||||||||
| Authors: |
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| Date: | 2008 | |||||||||
| Journal or Publication Title: | Journal of Physics - Condensed Matter | |||||||||
| Refereed publication: | Yes | |||||||||
| Open Access: | No | |||||||||
| Gold Open Access: | No | |||||||||
| In SCOPUS: | No | |||||||||
| In ISI Web of Science: | Yes | |||||||||
| Volume: | 20 | |||||||||
| DOI : | 10.1088/0953-8984/20/24/244117 | |||||||||
| Page Range: | 244117/1-244117/7 | |||||||||
| Status: | Published | |||||||||
| Keywords: | mode coupling theory, silica at high pressure, molecular dynamics computer simulation | |||||||||
| HGF - Research field: | Aeronautics, Space and Transport (old) | |||||||||
| HGF - Program: | Space (old) | |||||||||
| HGF - Program Themes: | W FR - Forschung unter Weltraumbedingungen (old) | |||||||||
| DLR - Research area: | Space | |||||||||
| DLR - Program: | W FR - Forschung unter Weltraumbedingungen | |||||||||
| DLR - Research theme (Project): | W - Vorhaben Materialwissenschaftliche Forschung (old) | |||||||||
| Location: | Köln-Porz | |||||||||
| Institutes and Institutions: | Institute of Materials Physics in Space | |||||||||
| Deposited By: | Horbach, Dr.rer.nat. Jürgen | |||||||||
| Deposited On: | 21 Oct 2008 | |||||||||
| Last Modified: | 27 Apr 2009 14:57 |
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